2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid

C10H14N2O3 — CID 106548399

IUPAC2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1cnn(CC(C)(C)C(=O)O)c(=O)c1
InChIInChI=1S/C10H14N2O3/c1-7-4-8(13)12(11-5-7)6-10(2,3)9(14)15/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyROYSYEPNGRXLOJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.66
Rot. Bonds3

About 2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid

2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 106548399) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
PubChem CID106548399
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1cnn(CC(C)(C)C(=O)O)c(=O)c1
InChIInChI=1S/C10H14N2O3/c1-7-4-8(13)12(11-5-7)6-10(2,3)9(14)15/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyROYSYEPNGRXLOJ-UHFFFAOYSA-N
XLogP0.66
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Oxo-2,3-dihydropyridazine-2-propanoic acid
CID 62850301
3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanoic acid
CID 106548385
2-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 69081059
2-Methyl-3-(6-oxopyridazin-1-yl)propanoic acid
CID 62848719
2-[(6-Oxopyridazin-1-yl)methyl]prop-2-enoic acid
CID 64116288
2,2-Dimethyl-3-(6-oxopyridazin-1-yl)propanoic acid
CID 79630256
Methyl 2,2-dimethyl-3-(6-oxopyridazin-1-yl)propanoate
CID 79630347
3-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 84103792
1-Ethyl-6-oxopyridazine-4-carboxylic acid
CID 84652941
6-Oxo-1-propylpyridazine-4-carboxylic acid
CID 84658338
6-Oxo-1-propan-2-ylpyridazine-4-carboxylic acid
CID 84658339
2-Neopentyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid
CID 97620688

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid (CID 106548399) is 2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid is Cc1cnn(CC(C)(C)C(=O)O)c(=O)c1.
What is the InChIKey of 2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is ROYSYEPNGRXLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-4-8(13)12(11-5-7)6-10(2,3)9(14)15/h4-5H,6H2,1-3H3,(H,14,15).
What are the key properties of 2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 106548399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).